Information card for entry 2013303

Structure parameters

• Chemical name: 3-(1H-pyrrol-2-yl)pyridine
• Formula: C9 H8 N2
• Calculated formula: C9 H8 N2
• SMILES: n1cc(ccc1)c1[nH]ccc1
• Title of publication: Five (1<i>H</i>-pyrrol-2-yl)pyridines
• Authors of publication: Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o263 - o267
• a: 5.3537 ± 0.0013 Å
• b: 11.654 ± 0.003 Å
• c: 11.99 ± 0.003 Å
• α: 90°
• β: 98.1 ± 0.01°
• γ: 90°
• Cell volume: 740.6 ± 0.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes